4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole

C77H64Cl4N10S5 — CID 160822536

IUPAC4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole
SMILESCc1[nH]c(-c2ccsc2)nc1-c1ccccc1.Cc1[nH]c(Cc2cccs2)nc1-c1ccc(Cl)c(Cl)c1.Cc1[nH]c(Cc2cccs2)nc1-c1ccc(Cl)cc1Cl.Cc1[nH]c(Cc2cccs2)nc1-c1ccccc1.c1csc(Cc2ncc(-c3ccc4ccccc4c3)[nH]2)c1
InChIInChI=1S/C18H14N2S.2C15H12Cl2N2S.C15H14N2S.C14H12N2S/c1-2-5-14-10-15(8-7-13(14)4-1)17-12-19-18(20-17)11-16-6-3-9-21-16;1-9-15(12-5-4-10(16)7-13(12)17)19-14(18-9)8-11-3-2-6-20-11;1-9-15(10-4-5-12(16)13(17)7-10)19-14(18-9)8-11-3-2-6-20-11;1-11-15(12-6-3-2-4-7-12)17-14(16-11)10-13-8-5-9-18-13;1-10-13(11-5-3-2-4-6-11)16-14(15-10)12-7-8-17-9-12/h1-10,12H,11H2,(H,19,20);2*2-7H,8H2,1H3,(H,18,19);2-9H,10H2,1H3,(H,16,17);2-9H,1H3,(H,15,16)
InChIKeySFSTXNOEJWFNDB-UHFFFAOYSA-N
MW1431.58 g/mol
LogP23.72
Rot. Bonds14

About 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole

4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole (PubChem CID 160822536) has the molecular formula C77H64Cl4N10S5 and a molecular weight of 1431.58 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole
PubChem CID160822536
Molecular FormulaC77H64Cl4N10S5
Molecular Weight1431.58 g/mol
Exact Mass1428.27
IUPAC Name4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole
SMILESCc1[nH]c(-c2ccsc2)nc1-c1ccccc1.Cc1[nH]c(Cc2cccs2)nc1-c1ccc(Cl)c(Cl)c1.Cc1[nH]c(Cc2cccs2)nc1-c1ccc(Cl)cc1Cl.Cc1[nH]c(Cc2cccs2)nc1-c1ccccc1.c1csc(Cc2ncc(-c3ccc4ccccc4c3)[nH]2)c1
InChIInChI=1S/C18H14N2S.2C15H12Cl2N2S.C15H14N2S.C14H12N2S/c1-2-5-14-10-15(8-7-13(14)4-1)17-12-19-18(20-17)11-16-6-3-9-21-16;1-9-15(12-5-4-10(16)7-13(12)17)19-14(18-9)8-11-3-2-6-20-11;1-9-15(10-4-5-12(16)13(17)7-10)19-14(18-9)8-11-3-2-6-20-11;1-11-15(12-6-3-2-4-7-12)17-14(16-11)10-13-8-5-9-18-13;1-10-13(11-5-3-2-4-6-11)16-14(15-10)12-7-8-17-9-12/h1-10,12H,11H2,(H,19,20);2*2-7H,8H2,1H3,(H,18,19);2-9H,10H2,1H3,(H,16,17);2-9H,1H3,(H,15,16)
InChIKeySFSTXNOEJWFNDB-UHFFFAOYSA-N
XLogP23.72
TPSA143.40 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001431.58
LogP ≤ 523.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole (CID 160822536) is 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole is Cc1[nH]c(-c2ccsc2)nc1-c1ccccc1.Cc1[nH]c(Cc2cccs2)nc1-c1ccc(Cl)c(Cl)c1.Cc1[nH]c(Cc2cccs2)nc1-c1ccc(Cl)cc1Cl.Cc1[nH]c(Cc2cccs2)nc1-c1ccccc1.c1csc(Cc2ncc(-c3ccc4ccccc4c3)[nH]2)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole?
The InChIKey is SFSTXNOEJWFNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S.2C15H12Cl2N2S.C15H14N2S.C14H12N2S/c1-2-5-14-10-15(8-7-13(14)4-1)17-12-19-18(20-17)11-16-6-3-9-21-16;1-9-15(12-5-4-10(16)7-13(12)17)19-14(18-9)8-11-3-2-6-20-11;1-9-15(10-4-5-12(16)13(17)7-10)19-14(18-9)8-11-3-2-6-20-11;1-11-15(12-6-3-2-4-7-12)17-14(16-11)10-13-8-5-9-18-13;1-10-13(11-5-3-2-4-6-11)16-14(15-10)12-7-8-17-9-12/h1-10,12H,11H2,(H,19,20);2*2-7H,8H2,1H3,(H,18,19);2-9H,10H2,1H3,(H,16,17);2-9H,1H3,(H,15,16).
What are the key properties of 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole?
4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole has a molecular weight of 1431.58 g/mol, XLogP of 23.72, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole is sourced from PubChem (CID 160822536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).